8,9-Difluoro-3-methyl-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acid

HCID 534278CAS 82419-35-0
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Basic information

Standard SMILES
CC1COc2c(F)c(F)cc3c(=O)c(C(=O)O)cn1c23
InChIKey
NVKWWNNJFKZNJO-UHFFFAOYSA-N
Molecular formula
C13H9F2NO4
Average molar mass
281.21 g/mol

Names & identifiers

Preferred name
8,9-Difluoro-3-methyl-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acid
IUPAC
6,7-difluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

Names & synonyms

9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid8,9-Difluoro-3-methyl-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acid9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acidRefChem:547200700-160-882419-35-0Ofloxacin Q acidMFCD00226106Ofloxacin Impurity AOfloxacin Q acid, (+/-)-7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylicacid, 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-9,10-Difluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid
Show more names
6,7-difluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid501W86694ZOxygen-fluorine acidC13H9F2NO4EN300-199091(3RS)-9,10-Difluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid(RS-Of9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid(RS-Ofloxacin Carboxylic Acid)

Database identifiers

CAS
82419-35-0
PubChem CID
534278
ChEMBL
CHEMBL216686
UNII
501W86694Z
EC Number
700-160-8
Nikkaji
J1.585.705F

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
66.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
1
Heavy atoms
20

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 27-01-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/1131
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Related reactions

50 records
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Linked notes

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